Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.76 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.59 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.59 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3035013 | 0.87 | S1PR1 (1.00) | S1PR1S1PR3S1PR5 | |
| SCHEMBL13216786 | 0.86 | S1PR1 (0.88) | S1PR1S1PR3S1PR5 | |
| SCHEMBL15372630 | 0.84 | S1PR1 (0.80) | S1PR1S1PR3S1PR5 | |
| SCHEMBL15372608 | 0.84 | S1PR1 (0.82) | S1PR1S1PR3S1PR5 | |
| SCHEMBL3034983 | 0.82 | S1PR1 (1.00) | S1PR1S1PR3S1PR5 | |
| SCHEMBL13216771 | 0.82 | S1PR1 (0.85) | S1PR1S1PR3S1PR5 | |
| SCHEMBL13216802 | 0.81 | S1PR1 (0.88) | S1PR1S1PR3S1PR5 | |
| SCHEMBL3025823 | 0.80 | S1PR1 (1.00) | S1PR1S1PR3S1PR5 | |
| SCHEMBL3026901 | 0.79 | S1PR1 (1.00) | S1PR1S1PR3 | |
| SCHEMBL3025287 | 0.78 | S1PR1 (0.82) | S1PR1S1PR3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9150519-B2 | 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis | MERCK SERONO SA (CH) | 2015-10-06 | — | — | US | disclosed |